SCHEMBL2117758

SCHEMBL2117758

CC(C)(C)[Si](OC[C@@H]1C[C@@]1(C=O)c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SMYD2 Q9NRG4 3/20 0.38
TOP2A P11388 1/20 0.32
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9950850 1.00 CYP3A4 (0.40) CYP3A4HTTSMN1; SMN2SMYD2TOP2A
SCHEMBL2118280 0.89 HTR2A (0.36) CYP3A4HTTSMN1; SMN2SMYD2HTR2A
SCHEMBL10188800 0.86 SMYD2 (0.37) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL9950042 0.84 CYP3A4 (0.36) CYP3A4HTTSMN1; SMN2SMYD2HTR2A
SCHEMBL9950045 0.84 CYP3A4 (0.36) CYP3A4HTTSMN1; SMN2SMYD2HTR2A
SCHEMBL9950542 0.82 CYP3A4 (0.36) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL19689354 0.82 CYP3A4 (0.41) CYP3A4HTTSMN1; SMN2SMYD2HTR2A
SCHEMBL19689355 0.82 CYP3A4 (0.41) CYP3A4HTTSMN1; SMN2SMYD2HTR2A
SCHEMBL30158926 0.82 CYP3A4 (0.41) CYP3A4HTTSMN1; SMN2SMYD2HTR2A
SCHEMBL9950541 0.81 L3MBTL1 (0.43) CYP3A4HTTSMN1; SMN2SMYD2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2626350-B1 CYCLOPROPANE COMPOUND EISAI R&D MAN CO LTD (JP) 2015-04-15 EP disclosed
EP-2626350-A1 CYCLOPROPANE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2013-08-14 EP disclosed
US-8268848-B2 Cyclopropane compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-09-18 US disclosed
US-20120165339-A1 CYCLOPROPANE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-06-28 US disclosed
US-20120095031-A1 CYCLOPROPANE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120095031-A1 CYCLOPROPANE COMPOUND HCRTR1, HCRTR2, CNR1 CYP3A4 1479/4885HTT 939/4885SMN1; SMN2 3812/4885
US-20120165339-A1 CYCLOPROPANE DERIVATIVES HCRTR2, HCRTR1, CNR1 CYP3A4 2390/4885HTT 1672/4885SMN1; SMN2 592/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.